N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

C104H85ClF3N29O13 — CID 163706999

About N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide (PubChem CID 163706999) has the molecular formula C104H85ClF3N29O13 and a molecular weight of 2041.46 g/mol. Its IUPAC name is N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
• PubChem CID: 163706999
• Molecular Formula: C104H85ClF3N29O13
• Molecular Weight: 2041.46 g/mol
• Exact Mass: 2039.65
• IUPAC Name: N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(OC)c(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(CCN4CCC4)c3n2)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccc(Cl)cc3F)cc3cnc(Nc4cnn(C)c4)nc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3cccnc3)cc3cnc(Nc4cnn(C)c4)nc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccncc3)cc3cnc(Nc4cnn(C)c4)nc32)c1
• InChI: InChI=1S/C28H26F2N6O4.C26H19ClFN7O3.2C25H20N8O3/c1-3-25(37)32-19-6-8-23(39-2)21(15-19)33-28-31-16-17-13-24(40-22-7-5-18(29)14-20(22)30)27(38)36(26(17)34-28)12-11-35-9-4-10-35;1-3-23(36)31-17-5-4-6-19(11-17)35-24-15(12-29-26(33-24)32-18-13-30-34(2)14-18)9-22(25(35)37)38-21-8-7-16(27)10-20(21)28;1-3-22(34)29-17-6-4-7-19(11-17)33-23-16(10-21(24(33)35)36-20-8-5-9-26-14-20)12-27-25(31-23)30-18-13-28-32(2)15-18;1-3-22(34)29-17-5-4-6-19(12-17)33-23-16(11-21(24(33)35)36-20-7-9-26-10-8-20)13-27-25(31-23)30-18-14-28-32(2)15-18/h3,5-8,13-16H,1,4,9-12H2,2H3,(H,32,37)(H,31,33,34);3-14H,1H2,2H3,(H,31,36)(H,29,32,33);2*3-15H,1H2,2H3,(H,29,34)(H,27,30,31)
• InChIKey: KFXZKQMDRLEEBU-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 484.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.46
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide (CID 163706999) is N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OC)c(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(CCN4CCC4)c3n2)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccc(Cl)cc3F)cc3cnc(Nc4cnn(C)c4)nc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3cccnc3)cc3cnc(Nc4cnn(C)c4)nc32)c1.C=CC(=O)Nc1cccc(-n2c(=O)c(Oc3ccncc3)cc3cnc(Nc4cnn(C)c4)nc32)c1.

What is the InChIKey of N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?

The InChIKey is KFXZKQMDRLEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O4.C26H19ClFN7O3.2C25H20N8O3/c1-3-25(37)32-19-6-8-23(39-2)21(15-19)33-28-31-16-17-13-24(40-22-7-5-18(29)14-20(22)30)27(38)36(26(17)34-28)12-11-35-9-4-10-35;1-3-23(36)31-17-5-4-6-19(11-17)35-24-15(12-29-26(33-24)32-18-13-30-34(2)14-18)9-22(25(35)37)38-21-8-7-16(27)10-20(21)28;1-3-22(34)29-17-6-4-7-19(11-17)33-23-16(10-21(24(33)35)36-20-8-5-9-26-14-20)12-27-25(31-23)30-18-13-28-32(2)15-18;1-3-22(34)29-17-5-4-6-19(12-17)33-23-16(11-21(24(33)35)36-20-7-9-26-10-8-20)13-27-25(31-23)30-18-14-28-32(2)15-18/h3,5-8,13-16H,1,4,9-12H2,2H3,(H,32,37)(H,31,33,34);3-14H,1H2,2H3,(H,31,36)(H,29,32,33);2*3-15H,1H2,2H3,(H,29,34)(H,27,30,31).

What are the key properties of N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide?

N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide has a molecular weight of 2041.46 g/mol, XLogP of 16.55, 31 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[8-[2-(azetidin-1-yl)ethyl]-6-(2,4-difluorophenoxy)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[3-[6-(4-chloro-2-fluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-3-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;N-[3-[2-[(1-methylpyrazol-4-yl)amino]-7-oxo-6-pyridin-4-yloxypyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 163706999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).